8020-0252 Screening compound: 5-(2,4-dichlorophenyl)-10-(2-fluorophenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

8020-0252 Screening compound: 5-(2,4-dichlorophenyl)-10-(2-fluorophenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
8020-0252 Screening compound: 5-(2,4-dichlorophenyl)-10-(2-fluorophenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0252
5-(2,4-dichlorophenyl)-10-(2-fluorophenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8020-0252

Molecular Formula

C23H18Cl2FN3O3 (C23 H18 Cl2 FN3 O3)

Compound Name

5-(2,4-dichlorophenyl)-10-(2-fluorophenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

IUPAC name

8-(24-dichlorophenyl)-13-(2-fluorophenyl)-35-dimethyl-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CN(c1c(C(c(cccc2)c2F)OCC2)n2c(-c(ccc(Cl)c2)c2Cl)c1C(N1C)=O)C1=O

InChI

InChI=1S/C23H18Cl2FN3O3/c1-27-19-17(22(30)28(2)23(27)31)18(13-8-7-12(24)11-15(13)25)29-9-10-32-21(20(19)29)14-5-3-4-6-16(14)26/h3-8,11,21H,9-10H2,1-2H3/t21-/m1/s1

InChI Key

ZFXKPEFKSLHWBA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD09846188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.376

Distribution Coefficient, logD

5.376

Water Solubility, LogSw

-6.06

Polar Surface Area

40.380

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

8020-0252 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0252?
Check Price and Availability of 8020-0252, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0252
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8020-0252 available by request